CAS 1631-25-0 | 1H-Pyrrole-2,5-dione, 1-cyclohexyl- | CAS Number 1631-25-0

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1631-25-0 | 1H-Pyrrole-2,5-dione, 1-cyclohexyl-

CAS No: 1631-25-0 Catalog No: AG001TRQ MDL No:MFCD00043904

Product Description

Catalog Number:

AG001TRQ

Chemical Name:

1H-Pyrrole-2,5-dione, 1-cyclohexyl-

CAS Number:

1631-25-0

Molecular Formula:

C10H13NO2

Molecular Weight:

179.2157

MDL Number:

MFCD00043904

IUPAC Name:

1-cyclohexylpyrrole-2,5-dione

InChI:

InChI=1S/C10H13NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h6-8H,1-5H2

InChI Key:

BQTPKSBXMONSJI-UHFFFAOYSA-N

SMILES:

O=C1C=CC(=O)N1C1CCCCC1

EC Number:

216-630-6

NSC Number:

524431

Properties

Complexity:

246

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

179.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

179.219g/mol

Monoisotopic Mass:

179.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
Chemical reactivity and antimicrobial activity of N-substituted maleimides.	Journal of enzyme inhibition and medicinal chemistry 20120201
Diels-Alder reactions of inert aromatic compounds within a self-assembled coordination cage.	Chemistry, an Asian journal 20110704